2-[7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile CAS Name: 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]acetonitrile IUPAC Name: 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)CC#N)C=C2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)CC#N)C=C2

InChI

InChI=1S/C22H21N3O4/c1-3-4-18-19(7-6-17(14(2)26)21(18)27)29-13-15-5-8-20-24-11-16(9-10-23)22(28)25(20)12-15/h5-8,11-12,27H,3-4,9,13H2,1-2H3